General Information of the Compound
| Compound ID |
CP0468723
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| Compound Name |
(4-Fluoro-benzyl)-[3-(4-fluoro-phenyl)-3-(4-methoxy-phenyl)-propyl]-amine
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| Structure |
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| Formula |
C23H23F2NO
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| Molecular Weight |
367.439
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| Canonical SMILES |
COc1ccc(cc1)C(CCNCc1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H23F2NO/c1-27-22-12-6-19(7-13-22)23(18-4-10-21(25)11-5-18)14-15-26-16-17-2-8-20(24)9-3-17/h2-13,23,26H,14-16H2,1H3
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| InChIKey |
WSPPSTYUUVYFNI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3